General Information of the Compound
| Compound ID |
CP0506994
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| Compound Name |
N-benzyl-5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C29H33Cl2N5O
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| Molecular Weight |
538.523
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| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCc2ccccc2)cc1
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| InChI |
InChI=1S/C29H33Cl2N5O/c30-25-8-6-23(7-9-25)21-34-12-10-26(11-13-34)35-14-16-36(17-15-35)28-27(31)18-24(20-32-28)29(37)33-19-22-4-2-1-3-5-22/h1-9,18,20,26H,10-17,19,21H2,(H,33,37)
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| InChIKey |
SDBKADIGSPMMAF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound